CID 386993

Nsc680303

Structural Information

Molecular Formula
C24H28N6O4
SMILES
CC1=CC(=O)NC2=C1C=CC(=C2)NC(=O)C(CCCN=C(N)N)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C24H28N6O4/c1-15-12-21(31)29-20-13-17(9-10-18(15)20)28-22(32)19(8-5-11-27-23(25)26)30-24(33)34-14-16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,19H,5,8,11,14H2,1H3,(H,28,32)(H,29,31)(H,30,33)(H4,25,26,27)
InChIKey
XWRSKBOGVMMFKG-UHFFFAOYSA-N
Compound name
benzyl N-[5-(diaminomethylideneamino)-1-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-1-oxopentan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.2172 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.22448 208.3
[M+Na]+ 487.20642 209.5
[M-H]- 463.20992 212.7
[M+NH4]+ 482.25102 213.4
[M+K]+ 503.18036 206.2
[M+H-H2O]+ 447.21446 197.2
[M+HCOO]- 509.21540 228.9
[M+CH3COO]- 523.23105 248.0
[M+Na-2H]- 485.19187 209.4
[M]+ 464.21665 206.0
[M]- 464.21775 206.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.